4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran

C13H24O — CID 66871588

IUPAC4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1COC=C(C)C1CC
InChIInChI=1S/C13H24O/c1-4-6-7-8-12-10-14-9-11(3)13(12)5-2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyPDSVHDJBGYSJJF-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds5

About 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran

4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran (PubChem CID 66871588) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran
PubChem CID66871588
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran
SMILESCCCCCC1COC=C(C)C1CC
InChIInChI=1S/C13H24O/c1-4-6-7-8-12-10-14-9-11(3)13(12)5-2/h9,12-13H,4-8,10H2,1-3H3
InChIKeyPDSVHDJBGYSJJF-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohexyldihydropyran
CID 20290313
(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
CID 14467453
2-Heptyl-2-methyl-3,4-dihydropyran
CID 85821024
Oxabicyclo[10.4.0]hexadecene
CID 129803099
8-Methoxy-2,6-dimethyl-(2e)-octen-1-ol
CID 129881756
(4S,7S)-4,7-dimethyl-4,4a,5,6,7,8-hexahydro-3H-isochromene
CID 134896061
(2E)-2-(methoxymethylidene)-1-methyl-4-propan-2-ylcyclohexane
CID 134896278
(6E)-6-(methoxymethylidene)-3,4-dimethylundecane
CID 135036682
5-Isobutyl-1-methoxyhex-5-ene
CID 3022780
(5-Methoxy-1-methylenepentyl)cyclohexane
CID 3022783
4-butyl-3,4-dihydro-2H-pyran
CID 15353587
1-(Methoxymethyl)-4-methylidenecyclohexane
CID 10725435

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran?
The IUPAC name of 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran (CID 66871588) is 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran is CCCCCC1COC=C(C)C1CC.
What is the InChIKey of 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran?
The InChIKey is PDSVHDJBGYSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-6-7-8-12-10-14-9-11(3)13(12)5-2/h9,12-13H,4-8,10H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran?
4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran has a molecular weight of 196.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3-pentyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 66871588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).